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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Aminocyclopropane-1-Carboxylate_11-Aminocyclopropanecarboxylic acidME829226----
1-Aminocyclopropane-1-Carboxylate_21-Aminocyclopropanecarboxylic acidME829227----
1-Methylnicotinamide1-Methyl nicotinamideME829228----
2-Acetamido-2-Deoxy-Beta-D-GlucosylamineN-Acetyl-beta-glucosaminylamineME829229----
2-Amino-2-Methylpropanoate_1-ME829230----
2-Amino-2-Methylpropanoate_2-ME829231----
2-Hydroxyglutarate+Na2-Hydroxyglutaric acidME829232----
2-Hydroxyglutarate-Water-ME829233----
2-Hydroxyphenylalanine2-HydroxyphenylalanineME829234----
2-Methylbutyroylcarnitine_1-ME829235----
2-Methylbutyroylcarnitine_2-ME829236----
2-Methylglutaric Acid2-Methylglutaric acidME829237----
3-Aminoisobutanoate3-Aminoisobutanoic acidME829238----
3-Hydroxy-3-Methylglutarate_1-ME829239----
3-Hydroxy-3-Methylglutarate_2-ME829240----
3-Methylcrotonylglycine3-MethylcrotonylglycineME829241----
3-Ureidopropionate_1-ME829242----
3-Ureidopropionate_2-ME829243----
3-Ureidopropionate_3-ME829244----
4-Acetamidobutanoate4-Acetamidobutanoic acidME829245----
4-Aminobenzoate_1-ME829246----
4-Aminobenzoate_2-ME829247----
4-Aminobutanoate (Gaba)gamma-Aminobutyric acidME829248----
4-Guanidinobutanoate4-Guanidinobutanoic acidME829249----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME829250----
4-Hydroxy-L-Phenylglycine_1-ME829251----
4-Hydroxy-L-Phenylglycine_2-ME829252----
4-Hydroxy-L-Proline_1-ME829253----
4-Hydroxy-L-Proline_2-ME829254----
5-Aminolevulinic Acid5-Amino-levulinic acidME829255----
5-Hydroxymethyl-2-Furaldehyde_1-ME829256----
5-Hydroxymethyl-2-Furaldehyde_2-ME829257----
5-Hydroxy-N-Formylkynurenine5-Hydroxy-N-formylkynurenineME829258----
5-Oxo-D-Proline_1-ME829259----
5-Oxo-D-Proline_2-ME829260----
6C-Sugar Alcohol-ME829261----
6-Hydroxynicotinate6-Hydroxynicotinic acidME829262----
7-Ketochenodeoxycholic Acid-ME829263----
Acetylcitrulline-ME829264----
Acetyl-Dl-Carnitine_1-ME829265----
Acetyl-Dl-Carnitine_2-ME829266----
Acyl-Carnitine(5-Oh)_1CAR 5:0;OHME829267----
Acyl-Carnitine(5-Oh)_2CAR 5:0;OHME829268----
Acyl-Carnitine(5-Oh)_3CAR 5:0;OHME829269----
AdenineAdenineME829270----
Alanine/SarcosineAlanine/SarcosineME829271----
Aldo/Keto-HexoseHexoseME829272----
AldopentoseAldopentoseME829273----
Alpha-Aminoadipate/N-Methyl-L-Glutamate_1-ME829274----
Alpha-Aminoadipate/N-Methyl-L-Glutamate_2-ME829275----
Alpha-Aminoadipate/N-Methyl-L-Glutamate_3-ME829276----
Alpha-D-GlucoseGlucoseME829277----
ArabinoseArabinoseME829278----
AspartateAspartic acidME829279----
Boc-D-Phenylalanine-ME829280----
ButanoylcarnitineCAR 4:0ME829281----
CarnosineCarnosineME829282----
CellobioseCellobioseME829283----
CholineCholineME829284----
Citrulline_1CitrullineME829285----
Citrulline_2CitrullineME829286----
CreatineCreatineME829287----
Cytosine_1CytosineME829288----
Cytosine_2CytosineME829289----
D-FructoseFructoseME829290----
D-GluconateGluconic acidME829291----
D-Glucosamine 6-Phosphate_1-ME829292----
D-Glucosamine 6-Phosphate_2-ME829293----
D-Glyceric AcidGlyceric acidME829294----
D-Mannosamine_1-ME829295----
D-Mannosamine_2-ME829296----
D-SorbitolSorbitolME829297----
FormateFormic acidME829298----
Formyl-5-HydroxykynurenamineFormyl-5-hydroxykynurenamineME829299----
FormylkynurenineN-FormylkynurenineME829300----
Gama-Muricholic Acid-ME829301----
Gentiobiose_1-ME829302----
Gentiobiose_2-ME829303----
Glutathione DisulfideOxidized glutathioneME829304----
Glu-ThrGlu-ThrME829305----
Glycerol_1GlycerolME829306----
Glycerol_2GlycerolME829307----
Glycerophosphocholinesn-Glycero-3-phosphocholineME829308----
GlycineGlycineME829309----
GuanidinoacetateGuanidoacetic acidME829310----
HippurateHippuric acidME829311----
Homoserine_1HomoserineME829312----
Homoserine_2HomoserineME829313----
Hypoxanthine_1HypoxanthineME829314----
Hypoxanthine_2HypoxanthineME829315----
Indole-3-AcetaldehydeIndoleacetaldehydeME829316----
Indoleacrylic AcidIndoleacrylic acidME829317----
Isocytosine2-Amino-4-hydroxypyrimidineME829318----
IsoleucineIsoleucineME829319----
L-AnserineAnserineME829320----
L-ArabitolL-ArabitolME829321----
L-Asparagine_1AsparagineME829322----
L-Asparagine_2AsparagineME829323----
L-Asparagine_3-ME829324----
L-Asparagine_4-ME829325----
L-AspartateAspartic acidME829326----
L-CarnitineCarnitineME829327----
LeucineLeucineME829329----
Leu ProLeu-ProME829328----
L-Glutamic Acid_1Glutamic acidME829330----
L-Glutamic Acid_2Glutamic acidME829331----
L-Glutamic Acid_3Glutamic acidME829332----
L-Glutamic Acid_4Glutamic acidME829333----
L-Glutamine_1GlutamineME829334----
L-Glutamine_2GlutamineME829335----
L-Histidine_1-ME829336----
L-Histidine_2-ME829337----
L-IsoleucineIsoleucineME829338----
L-KynurenineKynurenineME829339----
L-Lactic Acid_1-ME829340----
L-Lactic Acid_2-ME829341----
L-Lactic Acid_3-ME829342----
L-Lysine_1LysineME829343----
L-Lysine_2LysineME829344----
L-Lysine_3-ME829345----
L-Lysine_4-ME829346----
L-Methionine_1MethionineME829347----
L-Methionine_2MethionineME829348----
L-Methionine_3-ME829349----
L-Ornithine_1-ME829350----
L-Ornithine_2OrnithineME829351----
L-Ornithine_3-ME829352----
L-Ornithine_4-ME829353----
L-Phenylalanine_1PhenylalanineME829354----
L-Phenylalanine_2PhenylalanineME829355----
L-Phenylalanine_3-ME829356----
L-Pipecolic Acid_1-ME829357----
L-Pipecolic Acid_2-ME829358----
L-Pipecolic Acid_3-ME829359----
L-ProlineProlineME829360----
L-Serine_1SerineME829361----
L-Serine_2SerineME829362----
L-Tryptophan_1TryptophanME829363----
L-Tryptophan_2TryptophanME829364----
L-Tyrosine_1TyrosineME829365----
L-Tyrosine_2TyrosineME829366----
LumichromeLumichromeME829367----
L-ValineValineME829368----
Lysope (20:4)LPE 20:4ME829369----
MalateMalic acidME829370----
Methionine SulfoxideMethionine sulfoxideME829371----
N1-Methyl-2-Pyridone-5-CarboxamideN1-Methyl-2-pyridone-5-carboxamideME829372----
N-Acetyl-D-GalactosamineN-AcetylgalactosamineME829373----
N-Acetyl-Dl-Glutamic AcidN-Acetylglutamic acidME829374----
N-Acetyl-Dl-SerineN-AcetylserineME829375----
N-Acetylglycine_1-ME829376----
N-Acetylglycine_2-ME829377----
N-Acetyl-L-Alanine_1N-AcetylalanineME829378----
N-Acetyl-L-Alanine_2N-AcetylalanineME829379----
N-Acetyl-L-Alanine_3N-AcetylalanineME829380----
N-Acetyl-L-Aspartic Acid_1N-Acetylaspartic acidME829381----
N-Acetyl-L-Aspartic Acid_2N-Acetylaspartic acidME829382----
N-Acetyl-L-Leucine_1-ME829383----
N-Acetyl-L-Leucine_2N-AcetylleucineME829384----
N-Acetyl-L-Leucine_3-ME829385----
N-Boc-L-Aspartic AcidAspartic acidME829386----
N-Boc-L-Tert-Leucine-ME829387----
N-Boc-L-TryptophanTryptophanME829388----
NicotinamideNiacinamideME829389----
Nicotinate_1-ME829390----
Nicotinate_2-ME829391----
N-Methyl-L-Histidine-ME829392----
NorleucineNorleucineME829393----
O-Acetyl-L-SerineO-AcetylserineME829394----
Pantothenic Acid_1-ME829395----
Pantothenic Acid_2-ME829396----
Phenylalanine-Hcooh-ME829397----
PhosphocholineCholine phosphateME829398----
PropanoylcarnitineCAR 3:0ME829399----
PutrescinePutrescineME829400----
Pyridoxal_1PyridoxalME829401----
Pyridoxal_2PyridoxalME829402----
Sn-Glycerol 3-Phosphatesn-Glycero-3-phosphateME829403----
SpermidineSpermidineME829404----
StachydrineStachydrineME829405----
Taurine_1TaurineME829406----
Taurine_2TaurineME829407----
Taurine_3-ME829408----
ThymineThymineME829409----
Tiglylcarnitine_1-ME829410----
Tiglylcarnitine_2-ME829411----
Trans-Aconitatetrans-Aconitic acidME829225----
Trans-Aconitate_1-ME829412----
Trigonelline_1-ME829413----
Trigonelline_2-ME829414----
TryptamineTryptamineME829415----
UracilUracilME829416----
UrateUric acidME829417----
UridineUridineME829418----
XanthineXanthineME829419----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11-Prostaglandin F2-ME829426----
12(S)-Hhtre12S-HHTrEME829427----
2,5-DihydroxybenzoateGentisic acidME829428----
2-Aminoethyl Dihydrogen Phosphate_1-ME829429----
2-Aminoethyl Dihydrogen Phosphate_2-ME829430----
2-Aminoethyl Dihydrogen Phosphate_3-ME829431----
2-Deoxy-D-Glucose_1-ME829432----
2-Deoxy-D-Glucose_2-ME829433----
2-Hydroxy-4-(Methylthio)Butyric Acid_1-ME829434----
2-Hydroxy-4-(Methylthio)Butyric Acid_2-ME829435----
2-Hydroxy-4-(Methylthio)Butyric Acid_3-ME829436----
2-Hydroxybutyric Acid2-Hydroxybutyric acidME829437----
2-Hydroxyglutarate2-Hydroxyglutaric acidME829438----
2-Hydroxyhippuric AcidSalicyluric acidME829439----
2-Hydroxyphenylacetic Acid_12-Hydroxyphenylacetic acidME829440----
2-Hydroxyphenylacetic Acid_2-ME829441----
2-Methylglutaric Acid2-Methylglutaric acidME829442----
3,4-Dihydroxy-L-PhenylalanineDOPAME829444----
3-(4-Hydroxyphenyl)LactateHydroxyphenyllactic acidME829443----
3-Hydroxy-3-Methylglutarate3-Hydroxymethylglutaric acidME829445----
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME829446----
3-Hydroxydecanoic Acid3-Hydroxydecanoic acidME829447----
3-Methyl-2-Oxovaleric Acid3-Methyl-2-oxovaleric acidME829448----
3-Sulfino-L-Alanine3-Sulfino-alanineME829449----
3-UreidopropionateUreidopropionic acidME829450----
4-Acetamidobutanoate4-Acetamidobutanoic acidME829451----
4-Aminobenzoatep-Aminobenzoic acidME829452----
4-Hydroxy-2-Quinolinecarboxylic AcidKynurenic acidME829453----
4-Hydroxybenzenesulfonic Acid4-Hydroxybenzenesulfonic acidME829454----
4-Hydroxy-L-Proline_1-ME829455----
4-Hydroxy-L-Proline_2-ME829456----
4-Hydroxyphenylacetate4-Hydroxyphenyl acetateME829457----
4-Methyl-2-Oxo-Pentanoic Acid_1-ME829458----
4-Methyl-2-Oxo-Pentanoic Acid_2-ME829459----
4-Oxoproline4-Oxo-prolineME829460----
4-Pyridoxate4-Pyridoxic acidME829461----
5-Oxo-D-Proline5-Oxo-D-prolineME829462----
6-CarboxyhexanoatePimelic acidME829463----
6-Hydroxycaproic Acid6-Hydroxycaproic acidME829464----
6-Keto Prostaglandin F1_1-ME829465----
6-Keto Prostaglandin F1_2-ME829466----
6-Phosphogluconic Acid_1-ME829467----
6-Phosphogluconic Acid_26-Phosphogluconic acidME829468----
Adenine_1-ME829469----
Adenine_2-ME829470----
AdenosineAdenosineME829471----
Adenosine 3',5'-DiphosphateAdenosine 3',5'-diphosphateME829472----
Allantoin_1-ME829473----
Allantoin_2-ME829474----
Alpha-Aminoadipate_1-ME829475----
Alpha-Aminoadipate_2-ME829476----
Alpha-Aminoadipate_3-ME829477----
Alpha-D-Galactose 1-Phosphate_1-ME829478----
Alpha-D-Galactose 1-Phosphate_2-ME829479----
Alpha-D-Galactose 1-Phosphate_3-ME829480----
Alpha-D-Galactose 1-Phosphate_4-ME829481----
Alpha-Ketoglutaric Acid_12-Oxoglutaric acidME829482----
Alpha-Ketoglutaric Acid_22-Oxoglutaric acidME829483----
Arabinose_1-ME829484----
Arabinose_2-ME829485----
Arabinose_3-ME829486----
Arabinose_4-ME829487----
AscorbateVitamin CME829488----
Azelaic Acid_1-ME829489----
Azelaic Acid_2-ME829490----
BetaineBetaineME829491----
Boc-L-Tyrosine_1-ME829492----
Boc-L-Tyrosine_2-ME829493----
Caffeic AcidCaffeic acidME829494----
CitramalateCitramalic acidME829495----
Citrate_1Citric acidME829496----
Citrate_2Citric acidME829497----
CitrullineCitrullineME829498----
CreatineCreatineME829499----
D-(-)-3-Phosphoglyceric Acid_1-ME829500----
D-(-)-3-Phosphoglyceric Acid_2-ME829501----
D-Aspartate_1-ME829507----
D-Aspartate_2-ME829508----
D-(+)-Cellobiose_1-ME829502----
D-(+)-Cellobiose_2-ME829503----
DehydroascorbateL-Dehydroascorbic acidME829509----
D-(+)-GalactosamineGalactosamineME829504----
D-(+)-Galacturonic AcidGalacturonic acidME829505----
D-GluconateGluconic acidME829510----
D-Glucuronic AcidGlucuronic acidME829511----
D-Glyceric AcidGlyceric acidME829512----
D-OrnithineD-OrnithineME829513----
D-(+)-RaffinoseRaffinoseME829506----
D-Saccharic Acid_1-ME829514----
D-Saccharic Acid_2-ME829515----
D-Tryptophan_1-ME829516----
D-Tryptophan_2-ME829517----
Erythrose 4-Phosphate_1-ME829518----
Erythrose 4-Phosphate_2-ME829519----
Formyl-L-Methionyl PeptideN-FormylmethionineME829520----
Fumarate_1Fumaric acidME829521----
Fumarate_2Fumaric acidME829522----
Fumarate_3Fumaric acidME829523----
Fumarate_4Fumaric acidME829524----
Glucose/Fructose_1-ME829525----
Glucose/Fructose_2-ME829526----
Glucose/Fructose_3-ME829527----
Glucose/Fructose_4-ME829528----
Glucose/Fructose_5-ME829529----
Glutarate_1Glutaric acidME829530----
Glutarate_2Glutaric acidME829531----
GlutathioneGlutathioneME829532----
GlyceraldehydeGlyceraldehydeME829533----
Glycerol 2-Phosphatesn-Glycero-2-phosphateME829534----
Glycolaldehyde DimerGlycolaldehyde dimerME829535----
Glycolate_1-ME829536----
Glycolate_2-ME829537----
Hexanesulfonic Acid-Sulfate-ME829538----
HippurateHippuric acidME829539----
HomocysteineHomocysteineME829540----
Homoserine_1HomoserineME829541----
Homoserine_2HomoserineME829542----
HydroxypyruvateHydroxypyruvic acidME829543----
Hypotaurine_1-ME829544----
Hypotaurine_2-ME829545----
Hypoxanthine_1HypoxanthineME829546----
Hypoxanthine_2HypoxanthineME829547----
Hypoxanthine_3-ME829548----
Indole-3-AcetateIndoleacetic acidME829549----
Indole-3-EthanolTryptophanolME829550----
InosineInosineME829551----
Isocitric AcidIsocitric acidME829552----
LactateLactic acidME829553----
L-Arabitol_1-ME829554----
L-Arabitol_2-ME829555----
L-Asparagine_1AsparagineME829556----
L-Asparagine_2AsparagineME829557----
L-CarnitineCarnitineME829558----
L-CysteineCysteineME829559----
LeucineLeucineME829560----
L-Glutamic Acid_1Glutamic acidME829561----
L-Glutamic Acid_2Glutamic acidME829562----
L-Glutamine_1GlutamineME829563----
L-Glutamine_2GlutamineME829564----
L-Glutamine_3GlutamineME829565----
L-HistidineHistidineME829566----
L-IsoleucineIsoleucineME829567----
L-LysineLysineME829568----
L-MethionineMethionineME829569----
L-PhenylalaninePhenylalanineME829570----
L-Serine_1SerineME829571----
L-Serine_2SerineME829572----
L-TyrosineTyrosineME829573----
L-Tyrosine-13C6TyrosineME829574----
LumichromeLumichromeME829575----
L-ValineValineME829576----
Mannitol/SorbitolSorbitolME829577----
MevalolactoneMevalolactoneME829578----
Monobutyl Phthalate_1-ME829579----
Monobutyl Phthalate_2-ME829580----
Monoethyl Phthalate (Mep)Monoethyl phthalateME829581----
N6-(Delta2-Isopentenyl)-AdenineN6-IsopentenyladenineME829582----
N-Acetyl-D-Galactosamine_1-ME829583----
N-Acetyl-D-Galactosamine_2-ME829584----
N-Acetyl-D-Galactosamine_3-ME829585----
N-Acetyl-Dl-Glutamic Acid_1-ME829586----
N-Acetyl-Dl-Glutamic Acid_2-ME829587----
N-Acetyl-Dl-Glutamic Acid_3-ME829588----
N-Acetyl-Dl-MethionineN-AcetylmethionineME829589----
N-Acetyl-Dl-SerineN-AcetylserineME829590----
N-AcetylglycineN-AcetylglycineME829591----
N-Acetyl-L-Alanine_1N-AcetylalanineME829592----
N-Acetyl-L-Alanine_2N-AcetylalanineME829593----
N-Acetyl-L-Aspartic Acid_1N-Acetylaspartic acidME829594----
N-Acetyl-L-Aspartic Acid_2N-Acetylaspartic acidME829595----
N-Acetyl-L-CysteineN-AcetylcysteineME829596----
N-Acetyl-L-Leucine_1-ME829597----
N-Acetyl-L-Leucine_2N-AcetylleucineME829598----
N-AcetylneuraminateN-Acetylneuraminic acidME829599----
N-Boc-L-Aspartic AcidAspartic acidME829600----
N-Boc-L-Tert-Leucine_1-ME829601----
N-Boc-L-Tert-Leucine_2-ME829602----
N-Boc-L-Tryptophan_1-ME829603----
N-Boc-L-Tryptophan_2-ME829604----
Nicotinamide_1NiacinamideME829605----
Nicotinamide_2NiacinamideME829606----
NicotinateNicotinic acidME829607----
OrotateOrotic acidME829608----
O-Succinyl-L-Homoserineo-SuccinylhomoserineME829609----
ProlineProlineME829610----
PterinPterinME829611----
Pyridine-2,3-DicarboxylateQuinolinic acidME829612----
PyridoxalPyridoxalME829613----
PyridoxaminePyridoxamineME829614----
Pyruvate_1Pyruvic acidME829615----
Pyruvate_2Pyruvic acidME829616----
QuinateQuinic acidME829617----
Quinolinic AcidQuinolinic acidME829618----
(R)-Malate_1-ME829420----
(R)-Malate_2-ME829421----
(R)-Malate_3-ME829422----
(R)-Malate_4-ME829423----
(R,R)-Tartaric AcidTartaric acidME829424----
Salicylic Acid-D4Salicylic acidME829619----
Sarcosine/Beta-Alanine-ME829620----
(S)-LactateLactic acidME829425----
Sn-Glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME829621----
Succinate_1Succinic acidME829622----
Succinate_2Succinic acidME829623----
Succinate_3-ME829624----
Taurine_1TaurineME829625----
Taurine_2TaurineME829626----
ThymineThymineME829627----
Trans-Aconitatetrans-Aconitic acidME829628----
Trehalose/Sucrose-ME829629----
UracilUracilME829630----
UridineUridineME829631----
XanthineXanthineME829632----
XanthosineXanthosineME829633----


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